CID 97948

7-ethyl-2-methyl-4-undecanol

Structural Information

Molecular Formula

C₁₄H₃₀O

SMILES

CCCCC(CC)CCC(CC(C)C)O

InChI

InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3

InChIKey

JKKBSZCOVNFRCQ-UHFFFAOYSA-N

Compound name

7-ethyl-2-methylundecan-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 205
Patents: 214.22966 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.23694	160.7
[M+Na]+	237.21888	163.6
[M-H]-	213.22238	158.4
[M+NH4]+	232.26348	178.9
[M+K]+	253.19282	162.2
[M+H-H2O]+	197.22692	155.4
[M+HCOO]-	259.22786	177.6
[M+CH3COO]-	273.24351	193.2
[M+Na-2H]-	235.20433	159.1
[M]+	214.22911	162.6
[M]-	214.23021	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe